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. Author manuscript; available in PMC: 2023 Feb 10.
Published in final edited form as: J Med Chem. 2022 Jan 11;65(3):2646–2655. doi: 10.1021/acs.jmedchem.1c02049

Figure 6.

Figure 6.

Partial charges calculated for Kme2, Ket2, and Kei lysine substituents using CM5 (charge model 5)37 charges calculated at the M06–2X/6–311+G(d,p) level of theory.